2-bromo-N-cyclopentyl-N-methyl-1,3-thiazole-5-carboxamide

C10H13BrN2OS — CID 167312011

IUPAC2-bromo-N-cyclopentyl-N-methyl-1,3-thiazole-5-carboxamide
SMILESCN(C(=O)c1cnc(Br)s1)C1CCCC1
InChIInChI=1S/C10H13BrN2OS/c1-13(7-4-2-3-5-7)9(14)8-6-12-10(11)15-8/h6-7H,2-5H2,1H3
InChIKeyFWDZMEGGTPBOLM-UHFFFAOYSA-N
MW289.20 g/mol
LogP2.92
Rot. Bonds2

About 2-bromo-N-cyclopentyl-N-methyl-1,3-thiazole-5-carboxamide

2-bromo-N-cyclopentyl-N-methyl-1,3-thiazole-5-carboxamide (PubChem CID 167312011) has the molecular formula C10H13BrN2OS and a molecular weight of 289.20 g/mol. Its IUPAC name is 2-bromo-N-cyclopentyl-N-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-bromo-N-cyclopentyl-N-methyl-1,3-thiazole-5-carboxamide
PubChem CID167312011
Molecular FormulaC10H13BrN2OS
Molecular Weight289.20 g/mol
Exact Mass287.99
IUPAC Name2-bromo-N-cyclopentyl-N-methyl-1,3-thiazole-5-carboxamide
SMILESCN(C(=O)c1cnc(Br)s1)C1CCCC1
InChIInChI=1S/C10H13BrN2OS/c1-13(7-4-2-3-5-7)9(14)8-6-12-10(11)15-8/h6-7H,2-5H2,1H3
InChIKeyFWDZMEGGTPBOLM-UHFFFAOYSA-N
XLogP2.92
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.20
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-cyclopentyl-N-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-bromo-N-cyclopentyl-N-methyl-1,3-thiazole-5-carboxamide (CID 167312011) is 2-bromo-N-cyclopentyl-N-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-bromo-N-cyclopentyl-N-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-bromo-N-cyclopentyl-N-methyl-1,3-thiazole-5-carboxamide is CN(C(=O)c1cnc(Br)s1)C1CCCC1.
What is the InChIKey of 2-bromo-N-cyclopentyl-N-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is FWDZMEGGTPBOLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2OS/c1-13(7-4-2-3-5-7)9(14)8-6-12-10(11)15-8/h6-7H,2-5H2,1H3.
What are the key properties of 2-bromo-N-cyclopentyl-N-methyl-1,3-thiazole-5-carboxamide?
2-bromo-N-cyclopentyl-N-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 289.20 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-cyclopentyl-N-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 167312011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).